3,4-diaminobenzoic acid

3,4-diaminobenzoic acid

CAS: 619-05-6

Formula: C7H8N2O2

SMILES: NC1=CC=C(C=C1N)C(O)=O

IUPAC: 3,4-diaminobenzoic acid

InChI: InChI=1S/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11)

Composition: C (55.26%), H (5.30%), N (18.41%), O (21.03%)

Molar Mass: 152.153

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.058577506
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	HEMGYNNCNNODNX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.71
Topological Polar Surface Area	89.34
Polarizability	14.97
Ring Count	1
Rotatable Bond Count	1

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